CID 45792289

2-chloro-4-(4,5-dihydro-1h-imidazol-2-yl)pyridine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
C1CN=C(N1)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C8H8ClN3/c9-7-5-6(1-2-10-7)8-11-3-4-12-8/h1-2,5H,3-4H2,(H,11,12)
InChIKey
DFGYJWVECSFNLI-UHFFFAOYSA-N
Compound name
2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04068 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 135.8
[M+Na]+ 204.02990 145.1
[M-H]- 180.03340 136.9
[M+NH4]+ 199.07450 153.3
[M+K]+ 220.00384 140.0
[M+H-H2O]+ 164.03794 127.5
[M+HCOO]- 226.03888 151.2
[M+CH3COO]- 240.05453 148.2
[M+Na-2H]- 202.01535 141.5
[M]+ 181.04013 133.8
[M]- 181.04123 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.